N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide

C31H30N4O4 — CID 22291085

IUPACN-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)
InChIKeySVRHUWKSZKNYFQ-UHFFFAOYSA-N
MW522.61 g/mol
LogP5.31
Rot. Bonds8

About N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide

N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide (PubChem CID 22291085) has the molecular formula C31H30N4O4 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
PubChem CID22291085
Molecular FormulaC31H30N4O4
Molecular Weight522.61 g/mol
Exact Mass522.23
IUPAC NameN-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36)
InChIKeySVRHUWKSZKNYFQ-UHFFFAOYSA-N
XLogP5.31
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide (CID 22291085) is N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
The InChIKey is SVRHUWKSZKNYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O4/c1-22-8-11-25(33-31(37)24-5-4-7-27(19-24)35-15-17-38-18-16-35)20-29(22)34-30(36)23-9-12-28(13-10-23)39-21-26-6-2-3-14-32-26/h2-14,19-20H,15-18,21H2,1H3,(H,33,37)(H,34,36).
What are the key properties of N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide?
N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide has a molecular weight of 522.61 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[4-(pyridin-2-ylmethoxy)benzoyl]amino]phenyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 22291085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).